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20595-47-5

Basic Information
CAS No.: 20595-47-5
Name: 2,5-Dichlorocinnamic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 20595-47-5 (2,5-Dichlorocinnamic acid)
Formula: C9H6Cl2O2
Molecular Weight: 217.051
Synonyms: (2E)-3-(2,5-dichlorophenyl)acrylic acid;2-propenoic acid, 3-(2,5-dichlorophenyl)-, (2E)-;
Density: 1.457 g/cm3
Melting Point: 192-194 °C
Boiling Point: 357.6 °C at 760 mmHg
Flash Point: 170.1 °C
Hazard Symbols: IrritantXi
PSA: 37.30000
LogP: 3.09120
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Chemistry

Molecular Structure of 2,5-Dichlorocinnamic acid (CAS No.20595-47-5):

Molecular Formula: C9H6Cl2O
Molecular Weight: 217.0487
CAS No: 20595-47-5
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.637
Molar Refractivity: 53.49 cm3
Molar Volume: 148.9 cm3
Surface Tension: 54 dyne/cm
Density: 1.457 g/cm3
Flash Point: 170.1 °C
Enthalpy of Vaporization: 63.63 kJ/mol
Boiling Point: 357.6 °C at 760 mmHg
Vapour Pressure: 9.77E-06 mmHg at 25°C
InChI: InChI=1/C9H6Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChIKey: LYYBVUOVYNSRSE-DAFODLJHBW
Std. InChI: InChI=1S/C9H6Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+ Std. InChIKey: LYYBVUOVYNSRSE-DAFODLJHSA-N

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant

Specification

  2,5-Dichlorocinnamic acid (CAS No.20595-47-5), its synonyms are Rarechem bk hw 0013 ; (2E)-3-(2,5-Dichlorophenyl)acrylic acid ; 3-(2,5-Dichlorophenyl)acrylic acid ; Trans-2,5-Dichlorocinnamic Acid ; Trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid ; (E)-3-(2,5-Dichlorophenyl)propenoic acid .